2-[[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]-[2-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl]amino]ethyl 2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetate

C37H59N7O11 — CID 20741644

IUPAC2-[[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]-[2-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl]amino]ethyl 2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetate
SMILESCN1C(C)(C)C(=O)N(CC(=O)OCCN(CCOC(=O)CN2C(=O)C(C)(C)N(C)C(C)(C)C2=O)C(=O)CN2C(=O)C(C)(C)N(C)C(C)(C)C2=O)C(=O)C1(C)C
InChIInChI=1S/C37H59N7O11/c1-32(2)26(48)42(27(49)33(3,4)38(32)13)20-23(45)41(16-18-54-24(46)21-43-28(50)34(5,6)39(14)35(7,8)29(43)51)17-19-55-25(47)22-44-30(52)36(9,10)40(15)37(11,12)31(44)53/h16-22H2,1-15H3
InChIKeyCNPRNGOKKLGFKB-UHFFFAOYSA-N
MW777.92 g/mol
LogP-0.53
Rot. Bonds12

About 2-[[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]-[2-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl]amino]ethyl 2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetate

2-[[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]-[2-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl]amino]ethyl 2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetate (PubChem CID 20741644) has the molecular formula C37H59N7O11 and a molecular weight of 777.92 g/mol. Its IUPAC name is 2-[[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]-[2-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl]amino]ethyl 2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetate.

Molecular Properties

Compound Name2-[[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]-[2-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl]amino]ethyl 2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetate
PubChem CID20741644
Molecular FormulaC37H59N7O11
Molecular Weight777.92 g/mol
Exact Mass777.43
IUPAC Name2-[[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]-[2-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl]amino]ethyl 2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetate
SMILESCN1C(C)(C)C(=O)N(CC(=O)OCCN(CCOC(=O)CN2C(=O)C(C)(C)N(C)C(C)(C)C2=O)C(=O)CN2C(=O)C(C)(C)N(C)C(C)(C)C2=O)C(=O)C1(C)C
InChIInChI=1S/C37H59N7O11/c1-32(2)26(48)42(27(49)33(3,4)38(32)13)20-23(45)41(16-18-54-24(46)21-43-28(50)34(5,6)39(14)35(7,8)29(43)51)17-19-55-25(47)22-44-30(52)36(9,10)40(15)37(11,12)31(44)53/h16-22H2,1-15H3
InChIKeyCNPRNGOKKLGFKB-UHFFFAOYSA-N
XLogP-0.53
TPSA194.77 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.92
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]-[2-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl]amino]ethyl 2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]-[2-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl]amino]ethyl 2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetate?
The IUPAC name of 2-[[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]-[2-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl]amino]ethyl 2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetate (CID 20741644) is 2-[[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]-[2-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl]amino]ethyl 2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetate.
What is the SMILES notation for 2-[[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]-[2-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl]amino]ethyl 2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetate?
The canonical SMILES for 2-[[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]-[2-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl]amino]ethyl 2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetate is CN1C(C)(C)C(=O)N(CC(=O)OCCN(CCOC(=O)CN2C(=O)C(C)(C)N(C)C(C)(C)C2=O)C(=O)CN2C(=O)C(C)(C)N(C)C(C)(C)C2=O)C(=O)C1(C)C.
What is the InChIKey of 2-[[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]-[2-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl]amino]ethyl 2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetate?
The InChIKey is CNPRNGOKKLGFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H59N7O11/c1-32(2)26(48)42(27(49)33(3,4)38(32)13)20-23(45)41(16-18-54-24(46)21-43-28(50)34(5,6)39(14)35(7,8)29(43)51)17-19-55-25(47)22-44-30(52)36(9,10)40(15)37(11,12)31(44)53/h16-22H2,1-15H3.
What are the key properties of 2-[[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]-[2-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl]amino]ethyl 2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetate?
2-[[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]-[2-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl]amino]ethyl 2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetate has a molecular weight of 777.92 g/mol, XLogP of -0.53, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]-[2-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetyl]oxyethyl]amino]ethyl 2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)acetate is sourced from PubChem (CID 20741644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).